CID 19853205

59984-82-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1=CC(=CC=C1CNN)C(=O)O

InChI

InChI=1S/C8H10N2O2/c9-10-5-6-1-3-7(4-2-6)8(11)12/h1-4,10H,5,9H2,(H,11,12)

InChIKey

HFBSYGDBSGZDKT-UHFFFAOYSA-N

Compound name

4-(hydrazinylmethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 166.07423 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.08151	134.1
[M+Na]+	189.06345	143.9
[M+NH4]+	184.10805	141.3
[M+K]+	205.03739	139.4
[M-H]-	165.06695	135.8
[M+Na-2H]-	187.04890	139.7
[M]+	166.07368	135.6
[M]-	166.07478	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe